CID 165995805

4-(2-bromo-1,1-difluoroethyl)-2-(trifluoromethyl)-1,3-thiazole

Structural Information

Molecular Formula
C6H3BrF5NS
SMILES
C1=C(N=C(S1)C(F)(F)F)C(CBr)(F)F
InChI
InChI=1S/C6H3BrF5NS/c7-2-5(8,9)3-1-14-4(13-3)6(10,11)12/h1H,2H2
InChIKey
YZYXVXOFVXPMMU-UHFFFAOYSA-N
Compound name
4-(2-bromo-1,1-difluoroethyl)-2-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.90897 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.91625 147.7
[M+Na]+ 317.89819 162.3
[M-H]- 293.90169 147.7
[M+NH4]+ 312.94279 168.2
[M+K]+ 333.87213 150.0
[M+H-H2O]+ 277.90623 144.8
[M+HCOO]- 339.90717 157.7
[M+CH3COO]- 353.92282 194.0
[M+Na-2H]- 315.88364 151.0
[M]+ 294.90842 162.1
[M]- 294.90952 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.